1-Octyl-1,2,4-triazole
TL;DR: 1-Octyl-1,2,4-triazole (CAS 105279-46-7) is a chemical compound with molecular formula C10H19N3 and molecular weight 181.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-octyl-1,2,4-triazole
Also Known As: 1-octyl-1,2,4-triazole, 1-octyl-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C10H19N3 |
| Molecular Weight | 181.1579 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 181.1579 Da |
| Heavy Atoms | 13 |
| Complexity | 117.0 |
| SMILES | CCCCCCCCN1C=NC=N1 |
| InChIKey | KCFVSVHSXGAKGC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Octyl-1,2,4-triazole
Property Insights of 1-Octyl-1,2,4-triazole
The XLogP value of 3.4 indicates that 1-Octyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Octyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Octyl-1,2,4-triazole?
The CAS number of 1-Octyl-1,2,4-triazole is 105279-46-7.
What is the molecular formula of 1-Octyl-1,2,4-triazole?
The molecular formula of 1-Octyl-1,2,4-triazole is C10H19N3.
What is the molecular weight of 1-Octyl-1,2,4-triazole?
The molecular weight of 1-Octyl-1,2,4-triazole is 181.1579 g/mol.
Where can I buy 1-Octyl-1,2,4-triazole?
You can request a quote for 1-Octyl-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octyl-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-Octyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.